Receptor
PDB id Resolution Class Description Source Keywords
3A7C 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF TLR2-PE-DTPA COMPLEX MUS MUSCULUS, EPTATRETUS BURGERI TOLL-LIKE RECEPTOR PE-DTPA LEUCINE RICH REPEAT CELL MEMBRCYTOPLASMIC VESICLE DISULFIDE BOND GLYCOPROTEIN IMMUNE RINFLAMMATORY RESPONSE MEMBRANE RECEPTOR TRANSMEMBRANE PHOSPHOPROTEIN IMMUNE SYSTEM
Ref.: RECOGNITION OF LIPOPEPTIDE PATTERNS BY TOLL-LIKE RE 2-TOLL-LIKE RECEPTOR 6 HETERODIMER IMMUNITY V. 31 873 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LU A:1001;
Invalid;
none;
submit data
174.967 Lu [Lu+3...
NAG A:821;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG MAN C:1;
Part of Protein;
none;
submit data
n/a n/a
PDK A:581;
Valid;
none;
submit data
1011.18 C47 H87 N4 O17 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z81 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE TLR1-TLR2 HETERODIMER INDUCED BY BI TRI-ACYLATED LIPOPEPTIDE MUS MUSCULUS, EPTATRETUS BURGERI TLR2 PAM3CSK4 LIPOPEPTIDE INNATE IMMUNITY CYTOPLASMIC VEGLYCOPROTEIN IMMUNE RESPONSE INFLAMMATORY RESPONSE LEUCIREPEAT MEMBRANE RECEPTOR TRANSMEMBRANE IMMUNE SYSTEM
Ref.: CRYSTAL STRUCTURE OF THE TLR1-TLR2 HETERODIMER INDU BINDING OF A TRI-ACYLATED LIPOPEPTIDE CELL(CAMBRIDGE,MASS.) V. 130 1071 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2Z81 - PCJ C54 H105 N O6 S CCCCCCCCCC....
2 3A7C - PDK C47 H87 N4 O17 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2Z81 - PCJ C54 H105 N O6 S CCCCCCCCCC....
2 3A7C - PDK C47 H87 N4 O17 P CCCCCCCCCC....
3 6NIG - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2Z81 - PCJ C54 H105 N O6 S CCCCCCCCCC....
2 3A7C - PDK C47 H87 N4 O17 P CCCCCCCCCC....
3 6NIG - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PDK; Similar ligands found: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 PDK 1 1
2 PEV 0.577778 0.833333
3 PTY 0.577778 0.833333
4 3PE 0.577778 0.833333
5 PEF 0.577778 0.833333
6 PEH 0.577778 0.833333
7 8PE 0.577778 0.833333
8 9PE 0.571429 0.833333
9 PEE 0.571429 0.819672
10 6PL 0.55914 0.777778
11 PLD 0.55914 0.777778
12 HGX 0.55914 0.777778
13 LIO 0.55914 0.777778
14 PC7 0.55914 0.777778
15 PX4 0.55914 0.777778
16 HGP 0.55914 0.777778
17 CD4 0.549451 0.711864
18 P5S 0.542553 0.786885
19 LHG 0.537634 0.716667
20 PGT 0.537634 0.716667
21 8SP 0.531915 0.786885
22 L9Q 0.525253 0.819672
23 6OU 0.525253 0.819672
24 LOP 0.525253 0.819672
25 XP5 0.521277 0.777778
26 RXY 0.52 0.819672
27 PX2 0.516854 0.666667
28 PX8 0.516854 0.666667
29 PCW 0.509804 0.765625
30 3PH 0.505618 0.683333
31 LPP 0.505618 0.683333
32 7PH 0.505618 0.683333
33 6PH 0.505618 0.683333
34 F57 0.505618 0.683333
35 PA8 0.505618 0.666667
36 PIF 0.50505 0.61194
37 CN3 0.50505 0.711864
38 PII 0.5 0.621212
39 PCK 0.5 0.742424
40 7P9 0.5 0.683333
41 ZPE 0.5 0.819672
42 P6L 0.495146 0.704918
43 OZ2 0.490385 0.704918
44 D3D 0.490196 0.704918
45 PGW 0.490196 0.704918
46 GP7 0.485981 0.819672
47 PGV 0.485437 0.704918
48 PIZ 0.485437 0.621212
49 DR9 0.485437 0.704918
50 CN6 0.484848 0.711864
51 HXG 0.484211 0.777778
52 PEK 0.481132 0.819672
53 DGG 0.481132 0.68254
54 PGK 0.480769 0.68254
55 PSC 0.477064 0.765625
56 P50 0.47619 0.786885
57 PIO 0.475728 0.61194
58 52N 0.475728 0.61194
59 IP9 0.475728 0.621212
60 PSF 0.46875 0.786885
61 PD7 0.466667 0.683333
62 44G 0.463158 0.716667
63 D21 0.459184 0.672131
64 M7U 0.459184 0.683333
65 B7N 0.457944 0.61194
66 CDL 0.44898 0.65
67 PCF 0.431373 0.714286
68 PC1 0.431373 0.714286
69 MC3 0.431373 0.714286
70 PG8 0.43 0.688525
71 44E 0.428571 0.683333
72 EPH 0.418803 0.819672
73 T7X 0.417391 0.61194
74 8ND 0.410526 0.633333
75 AGA 0.407767 0.688525
Similar Ligands (3D)
Ligand no: 1; Ligand: PDK; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z81; Ligand: PCJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2z81.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback